SCHEMBL891470

SCHEMBL891470

Cn1nnc2c(C(=O)Cl)ncn2c1=O

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.73
PABPC1 P11940 1/20 0.73
KMT2A Q03164 1/20 0.73
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA9 Q16790 3/20 0.51
HCAR3 P49019 1/20 0.33
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL892401 0.87 MEN1 (0.77) MEN1PABPC1KMT2ACA12CA1
SCHEMBL5353245 0.86 MEN1 (0.75) MEN1PABPC1KMT2ACA12CA1
SCHEMBL799678 0.86 MEN1 (0.75) MEN1PABPC1KMT2ACA12CA1
Hydrochloric Acid SCHEMBL1335355 0.86 MEN1 (0.75) MEN1PABPC1KMT2ACA12CA1
Temozolomide SCHEMBL3739 0.84 MEN1 (1.00) MEN1PABPC1KMT2ACA12CA1
Temozolomide SCHEMBL3270220 0.84 MEN1 (1.00) MEN1PABPC1KMT2ACA12CA1
Temozolomide SCHEMBL3784250 0.83 MEN1 (0.97) MEN1PABPC1KMT2ACA12CA1
Temozolomide SCHEMBL4746638 0.83 MEN1 (0.97) MEN1PABPC1KMT2ACA12CA1
Temozolomide SCHEMBL1534013 0.83 MEN1 (0.97) MEN1PABPC1KMT2ACA12CA1
SCHEMBL891881 0.82 MEN1 (0.69) MEN1PABPC1KMT2ACA12CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183252-A1 SUBSTITUTED IMIDAZO[5,1-d][1,2,3,5]TETRAZINES FOR THE TREATMENT OF CANCER THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-06-15 US disclosed
US-20230183252-A1 SUBSTITUTED IMIDAZO[5,1-d][1,2,3,5]TETRAZINES FOR THE TREATMENT OF CANCER THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-06-15 US disclosed
US-20210315886-A1 IMIDAZOTETRAZINE COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-10-14 US disclosed
US-20210002286-A1 IMIDAZOTETRAZINE COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-01-07 US disclosed
WO-2020033880-A1 IMIDAZOTETRAZINE COMPOUNDS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-02-13 WO disclosed
EP-2445915-B1 3-SUBSTITUTED-8-SUBSTITUTED-3H IMIDAZO[5,1-D][1,2,3,5-TETRAZIN-4-ONE COMPOUNDS AND THEIR USE PHARMINOX LTD (GB) 2016-04-20 EP disclosed
US-9024018-B2 3-substituted-8-substituted-3H-imidazo[5,1-d][1,2,3,5]tetrazin-4-one compounds and their use PHARMINOX LIMITED (GB) 2015-05-05 US disclosed
US-8552183-B2 Process for the covalent coupling of two molecules by means of a diels-alder reaction with inverse electron requirement DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2013-10-08 US disclosed
US-8552183-B2 Process for the covalent coupling of two molecules by means of a diels-alder reaction with inverse electron requirement DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2013-10-08 US disclosed
EP-2445915-A1 3-SUBSTITUTED-8-SUBSTITUTED-3H IMIDAZO[5,1-D][1,2,3,5-TETRAZIN-4-ONE COMPOUNDS AND THEIR USE Pharminox Limited (GB) 2012-05-02 EP disclosed
US-20120083513-A1 3-Substituted-8-Substituted-3H-Imidazo[5,1-d][1,2,3,5]tetrazin-4-one Compounds and Their Use PHARMINOX LIMITED (GB) 2012-04-05 US disclosed
US-20110274618-A1 DIAGNOSTIC AND/OR THERAPEUTIC AGENT, METHOD FOR THE MANUFACTURE THEREOF AND USE THEREOF LEIBNIZ-INSTITUT FUER FESTKOERPER-UND WERKSTOFFFORSCHUNG DRESDEN E.V. (DE) 2011-11-10 US disclosed
EP-2349349-A1 DIAGNOSTIC AND/OR THERAPEUTIC AGENT, METHOD FOR THE MANUFACTURE THEREOF AND USE THEREOF Leibniz-Institut für Festkörper- und Werkstoffforschung Dresden e.V. (DE) 2011-08-03 EP disclosed
WO-2010149968-A1 3-SUBSTITUTED-8-SUBSTITUTED-3H IMIDAZO[5,1-D][1,2,3,5-TETRAZIN-4-ONE COMPOUNDS AND THEIR USE PHARMINOX LIMITED (GB) 2010-12-29 WO disclosed
WO-2010055036-A1 DIAGNOSTIC AND/OR THERAPEUTIC AGENT, METHOD FOR THE MANUFACTURE THEREOF AND USE THEREOF LEIBNIZ-INSTITUT FÜR FESTKÖRPER- UND WERKSTOFFFORSCHUNG DRESDEN E.V. (DE) 2010-05-20 WO disclosed
US-20100016545-A1 PROCESS FOR THE COVALENT COUPLING OF TWO MOLECULES BY MEANS OF A DIELS-ALDER REACTION WITH INVERSE ELECTRON REQUIREMENT DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2010-01-21 US disclosed
US-20100016545-A1 PROCESS FOR THE COVALENT COUPLING OF TWO MOLECULES BY MEANS OF A DIELS-ALDER REACTION WITH INVERSE ELECTRON REQUIREMENT DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2010-01-21 US disclosed
WO-2007144200-A1 PROCESS FOR THE COVALENT COUPLING OF TWO MOLECULES BY MEANS OF A DIELS-ALDER REACTION WITH INVERSE ELECTRON REQUIREMENT Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2007-12-21 WO disclosed
EP-0252682-A2 Tetrazines MAY & BAKER LIMITED (GB) 1988-01-13 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230183252-A1 SUBSTITUTED IMIDAZO[5,1-d][1,2,3,5]TETRAZINES FOR THE TREATMENT OF CANCER MCL1, IDH1, IDH2 MEN1 186/4885PABPC1 4308/4885KMT2A 453/4885
US-20120083513-A1 3-Substituted-8-Substituted-3H-Imidazo[5,1-d][1,2,3,5]tetrazin-4-one Compounds and Their Use MKI67, CCNA1, CCNI MEN1 937/4885PABPC1 3125/4885KMT2A 584/4885
US-20100016545-A1 PROCESS FOR THE COVALENT COUPLING OF TWO MOLECULES BY MEANS OF A DIELS-ALDER REACTION WITH INVERSE ELECTRON REQUIREMENT CX3CR1, NR3C2, NR4A2 MEN1 3630/4885PABPC1 4804/4885KMT2A 3685/4885
US-20210002286-A1 IMIDAZOTETRAZINE COMPOUNDS MCL1, IDH1, IDH2 MEN1 736/4885PABPC1 3990/4885KMT2A 159/4885
US-20210315886-A1 IMIDAZOTETRAZINE COMPOUNDS MCL1, IDH1, IDH2 MEN1 736/4885PABPC1 3990/4885KMT2A 159/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.